(2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

C20H25N3O — CID 91154792

IUPAC(2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1cccc(-c2ccc(N[C@@H]3C4CCN(CC4)[C@@H]3C)cn2)c1
InChIInChI=1S/C20H25N3O/c1-14-20(15-8-10-23(14)11-9-15)22-17-6-7-19(21-13-17)16-4-3-5-18(12-16)24-2/h3-7,12-15,20,22H,8-11H2,1-2H3/t14-,20+/m1/s1
InChIKeyRQZIDBSFSHQRLD-VLIAUNLRSA-N
MW323.44 g/mol
LogP3.65
Rot. Bonds4

About (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

(2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 91154792) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID91154792
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1cccc(-c2ccc(N[C@@H]3C4CCN(CC4)[C@@H]3C)cn2)c1
InChIInChI=1S/C20H25N3O/c1-14-20(15-8-10-23(14)11-9-15)22-17-6-7-19(21-13-17)16-4-3-5-18(12-16)24-2/h3-7,12-15,20,22H,8-11H2,1-2H3/t14-,20+/m1/s1
InChIKeyRQZIDBSFSHQRLD-VLIAUNLRSA-N
XLogP3.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

(2R,3S)-N-[6-(2,5-dimethoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67492161
N-[6-(3,4-dimethylphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 77302098
(2R,3S)-N-[6-(3,5-dimethylphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491795
N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 77302049
(2R,3S)-2-methyl-N-[6-(4-methylthiophen-3-yl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67491853
3-[6-(3-methoxyphenyl)pyridazin-3-yl]oxy-2-methyl-1-azabicyclo[2.2.2]octane
CID 68715544
(2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491876
5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18181708
trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66714216
(2R,3S)-2-methyl-N-[5-(3-methylphenyl)-2-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67492165
(2S,3R)-3-[3-(3-methoxyphenyl)pyrrol-1-yl]-2-methyl-1-azabicyclo[2.2.2]octane
CID 90691509
(2R,3S)-N-[5-(1H-indol-4-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67492083

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 91154792) is (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is COc1cccc(-c2ccc(N[C@@H]3C4CCN(CC4)[C@@H]3C)cn2)c1.
What is the InChIKey of (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is RQZIDBSFSHQRLD-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-20(15-8-10-23(14)11-9-15)22-17-6-7-19(21-13-17)16-4-3-5-18(12-16)24-2/h3-7,12-15,20,22H,8-11H2,1-2H3/t14-,20+/m1/s1.
What are the key properties of (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
(2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 323.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[6-(3-methoxyphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 91154792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).